SCHEMBL5017970

SCHEMBL5017970

Cc1ccc2[nH]c3c(c2c1Cl)CCC3

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
TP53 P04637 3/20 0.38
LMNA P02545 2/20 0.38
EGFR P00533 1/20 0.37
AR P10275 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5026464 0.81 AR (0.52) MAPTTP53LMNAEGFRAR
SCHEMBL12480461 0.79 L3MBTL1 (0.53) ALDH1A1KDM4EHSD17B10POLBALOX15
SCHEMBL14040246 0.74 AR (0.35) ARMEN1NPC1RAB9AKMT2A
SCHEMBL14041625 0.73 AR (0.36) AR
SCHEMBL4029160 0.73 GFER (0.47) MAPTTP53LMNAEGFRMEN1
SCHEMBL4651210 0.72 AR (0.36) AR
SCHEMBL4025604 0.72 MAPT (0.43) MAPTTP53LMNAMEN1NPC1
SCHEMBL4148253 0.72 MAPT (0.56) MAPTTP53LMNAEGFRMEN1
SCHEMBL28549389 0.70 SMN1; SMN2 (0.50) MAPTTP53LMNAEGFRALDH1A1
SCHEMBL6625805 0.70 MAPT (0.44) MAPTTP53LMNAEGFRAR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328515-B1 INDOLINE DERIVATIVES AND THEIR USE AS 5-HT2 RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed